SCHEMBL1021689

SCHEMBL1021689

CCCC1=C(c2ccc(F)cc2)C(=NO)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GCGR P47871 4/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TRPA1 O75762 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
HIF1A Q16665 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1021688 1.00 HTT (0.33) HTTNPC1RAB9ASMN1; SMN2GCGR
SCHEMBL1020005 0.91 GCGR (0.35) HTTNPC1RAB9AGCGRCYP1A2
SCHEMBL1020004 0.91 GCGR (0.35) HTTNPC1RAB9AGCGRCYP1A2
SCHEMBL1020229 0.90 GCGR (0.36) GCGRTRPA1LMNA
SCHEMBL1020231 0.90 GCGR (0.36) GCGRTRPA1LMNA
SCHEMBL1020950 0.88 PTGS1 (0.31) GCGRTRPA1PTGS1PTGS2
SCHEMBL1020949 0.88 PTGS1 (0.31) GCGRTRPA1PTGS1PTGS2
SCHEMBL1022437 0.84 PTGS2 (0.34) HTTGCGRCYP1A2CYP2C9TRPA1
SCHEMBL1022436 0.84 PTGS2 (0.34) HTTGCGRCYP1A2CYP2C9TRPA1
SCHEMBL1020338 0.81 HTR2A (0.34) TRPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013187-B2 2-cyclopenten-1-one oxime derivatives inhibiting production of TNF-α AMOREPACIFIC CORPORATION (KR) 2011-09-06 US claimed
EP-1841729-B1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORP (KR) 2011-01-12 EP claimed
US-20090036501-A1 2-Cyclopenten-1-One Oxime Derivatives Inhibiting Production of TNF-Alpha AMOREPACIFIC CORPORATION (KR) 2009-02-05 US claimed
EP-1841729-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA Amorepacific Corporation (KR) 2007-10-10 EP claimed
WO-2006059867-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORPORATION (KR) 2006-06-08 WO claimed
US-8013187-B2 2-cyclopenten-1-one oxime derivatives inhibiting production of TNF-α AMOREPACIFIC CORPORATION (KR) 2011-09-06 US disclosed
US-8013187-B2 2-cyclopenten-1-one oxime derivatives inhibiting production of TNF-α AMOREPACIFIC CORPORATION (KR) 2011-09-06 US disclosed
EP-1841729-B1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORP (KR) 2011-01-12 EP disclosed
US-20090036501-A1 2-Cyclopenten-1-One Oxime Derivatives Inhibiting Production of TNF-Alpha AMOREPACIFIC CORPORATION (KR) 2009-02-05 US disclosed
US-20090036501-A1 2-Cyclopenten-1-One Oxime Derivatives Inhibiting Production of TNF-Alpha AMOREPACIFIC CORPORATION (KR) 2009-02-05 US disclosed
EP-1841729-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA Amorepacific Corporation (KR) 2007-10-10 EP disclosed
WO-2006059867-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORPORATION (KR) 2006-06-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090036501-A1 2-Cyclopenten-1-One Oxime Derivatives Inhibiting Production of TNF-Alpha TNF, PDE4A, PDE3B HTT 4657/4885NPC1 3934/4885RAB9A 3599/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.